L.; Sarrazin, P.; Chipera, S. J.; Vaniman, D. T.; Blake, D.

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2004-01-01 Mineralogical analysis is a critical component of planetary surface exploration. Chemical data alone leave serious gaps in our understanding of the surfaces of planets where complex minerals may form in combination with H, S, and halogens. On such planets (e.g., Mars) a single chemical composition may represent a range of mineral assemblages. For example, Viking chemical analyses of excavated duricrust indicate that Mg and S are correlated and 10% MgSO4 (anhydrous weight) is a likely cementing agent. Pathfinder chemical data support a similar abundance of MgSO4 in the most altered materials.

However, there are many possible Mg-sulfates with widely varying hydration states (including dehydrated and 1-, 2-, 3-, 4-, 5-, 6-, and 7-hydrates). In addition, other sulfate minerals such as gypsum (CaSO4.2H2O) and other salts containing Cl may also exist.

X-ray diffraction (XRD) has the ability to decipher mixtures of these phases that would be difficult, if not impossible to unravel using only chemical or spectral data. • Shankland, Kenneth 2004-01-01 Global optimisation methods of structure determination from powder diffraction data have risen to prominence in a relatively short space of time and they now constitute a key approach in the examination of polycrystalline molecular organic materials. A correctly formulated global optimisation approach may be regarded as a “global Rietveld refinement” that is capable of delivering accurate crystal structures from high-quality powder diffraction data. This paper focuses on how accuracy at all stages of a powder diffraction experiment impacts upon the overall structure solution process and particular attention is paid to assessing the degree of accuracy with which structures are returned from the global optimisation process. PMID:27366603 • Domik, Gitta; Merkle, C. Scott 1991-01-01 The goal of this project was to collect 'research software' written in Interactive Data Language (IDL) to support analysis of data from the Infrared Astronomical Satellite (IRAS) and make it available to the larger community.

'Research Software' describes software created by researchers and staff for a specific research goal, but lacks sufficient documentation, easy to use interfaces, and rigorous debugging. Additionally, most of the IDL/IRAS code available needed to be ported to a (largely) hardware independent new version of IDL. F.; Watkinson, A. Crack Windows Xp Black Edition V8.2. 2009-12-01 Previous X-ray powder diffraction (XRD) studies revealed that shock deformed carbonates and quartz have broader XRD patterns than those of unshocked samples.

Entire XRD patterns, single peak profiles and Rietveld refined parameters of carbonate samples from the Sierra Madera impact crater, west Texas, unshocked equivalent samples from 95 miles north of the crater and the Mission Canyon Formation of southwest Montana and western Wyoming were used to evaluate the use of X-ray powder diffraction as a potential tool for distinguishing impact deformed rocks from unshocked and tectonically deformed rocks. At Sierra Madera dolostone and limestone samples were collected from the crater rim (lower shock intensity) and the central uplift (higher shock intensity). Unshocked equivalent dolostone samples were collected from well cores drilled outside of the impact crater. Carbonate rocks of the Mission Canyon Formation were sampled along a transect across the tectonic front of the Sevier and Laramide orogenic belts. Whereas calcite subjected to significant shock intensities at the Sierra Madera impact crater can be differentiated from tectonically deformed calcite from the Mission Canyon Formation using Rietveld refined peak profiles, weakly shocked calcite from the crater rim appears to be indistinguishable from the tectonically deformed calcite. In contrast, Rietveld analysis readily distinguishes shocked Sierra Madera dolomite from unshocked equivalent dolostone samples from outside the crater and tectonically deformed Mission Canyon Formation dolomite.